CID 71299065

7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1COC2=NC(=C(C=C2O1)Cl)C=O
InChI
InChI=1S/C8H6ClNO3/c9-5-3-7-8(10-6(5)4-11)13-2-1-12-7/h3-4H,1-2H2
InChIKey
NKLCPPLXAPBCNM-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.010896 135.7
[M+Na]+ 221.992838 145.9
[M-H]- 197.996344 140.2
[M+NH4]+ 217.037443 153.0
[M+K]+ 237.966778 144.9
[M+H-H2O]+ 182.000880 129.8
[M+HCOO]- 244.001821 150.6
[M+CH3COO]- 258.017471 180.7
[M+Na-2H]- 219.978286 145.3
[M]+ 199.00307142 139.2
[M]- 199.00416858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.